General Information of the Compound
| Compound ID |
CP0868386
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(7-morpholino-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C19H20ClFN6O3
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| Molecular Weight |
434.859
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cc(N3CCOCC3)cnn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C19H20ClFN6O3/c1-12(13-2-3-15(20)16(21)8-13)23-18(28)11-26-19(29)27-17(24-26)9-14(10-22-27)25-4-6-30-7-5-25/h2-3,8-10,12H,4-7,11H2,1H3,(H,23,28)/t12-/m0/s1
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| InChIKey |
SVQZKEIFULDYKQ-LBPRGKRZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound